Geometry & MOs

Info

ID:	32256
PubChem CID:	6436204
Reduced:	NO16C42H53 (1)
Stoich.:	AB16C42D53 (1)
Weight, g/mol:	804.32045
ΔH_f, kcal/mol:	-666.44
Dipole, Da:	4.25
IP(EA), eV:	-8.62(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H]1C(C(C(C(C(C(/C=C(/C2=C3C4=C(C(=C(C(=O)C4=C(C(=C3OCO2)C)O)NC(=O)/C(=C/C=C\[C@](C1O)(C)O)/C)C)OC(=O)C)\C)(C)O)O)C)OC(=O)C)C(=O)OC)O

DOS

IR

Vibrations